Zobrazeno 1 - 10
of 409
pro vyhledávání: '"F A, Gianturco"'
Publikováno v:
The Astrophysical Journal, Vol 973, Iss 1, p 17 (2024)
We discuss the HCN + H ^− reaction as a path to the formation of CN ^− , the smallest cyanopolyyne anion observed in several interstellar environments. We first obtain the new ab initio reactive potential energy surface using a full 5D representa
Externí odkaz:
https://doaj.org/article/b11f69f976054c8c9aac1c227daabc8a
Autor:
L. González-Sánchez, A. Veselinova, A. Martín Santa Daría, E. Yurtsever, R. Biswas, K. Giri, N. Sathyamurthy, U. Lourderaj, R. Wester, F. A. Gianturco
Publikováno v:
The Astrophysical Journal, Vol 960, Iss 1, p 40 (2023)
We report new results from quantum calculations of energy-transfer processes taking place in interstellar environments and involving two newly observed molecular species: C _5 N ^− and C _7 N ^− in collision with He atoms and p–H
Externí odkaz:
https://doaj.org/article/0aa6a4df5eb149039644ee9e2919ed2d
Autor:
R Biswas, K Giri, L González-Sánchez, F A Gianturco, U Lourderaj, N Sathyamurthy, A Veselinova, E Yurtsever, R Wester
Publikováno v:
Monthly Notices of the Royal Astronomical Society. 522:5775-5787
The anion C5N− is one of the largest linear (C,N)-bearing chains detected in the interstellar medium. Here we present and discuss the general features of new ab initio potential energy surfaces describing the interaction of this linear anion with H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d76cc6fbc3c96c71847dd8f2968868a
https://doi.org/10.1093/mnras/stad1261
https://doi.org/10.1093/mnras/stad1261
Autor:
K. Giri, L. González-Sánchez, Rupayan Biswas, E. Yurtsever, F. A. Gianturco, N. Sathyamurthy, U. Lourderaj, R. Wester
Publikováno v:
Journal of Physical Chemistry A
We report for the first time an accurate ab initio potential energy surface for the HeH+-H2system in four dimensions (4D) treating both diatomic species as rigid rotors. The computed ab initio potential energy point values are fitted using an artific
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36061ce02d9f94dace4c0a65ed4d6993
https://doi.org/10.1021/acs.jpca.1c10309
https://doi.org/10.1021/acs.jpca.1c10309
Autor:
K, Giri, L, González-Sánchez, Rupayan, Biswas, E, Yurtsever, F A, Gianturco, N, Sathyamurthy, U, Lourderaj, R, Wester
Publikováno v:
The journal of physical chemistry. A. 126(14)
We report for the first time an accurate ab initio potential energy surface for the HeH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::22a347c9462ac2b685003efd6363f8d8
https://pubmed.ncbi.nlm.nih.gov/35363491
https://pubmed.ncbi.nlm.nih.gov/35363491
Publikováno v:
The Journal of Physical Chemistry. a
We present accurate ab initio calculations on the structural properties of a gas-phase reaction of possible interest for Saturn’s outer atmosphere chemistry, in which the CH2 molecule has been detected. In the present study, that molecule is made t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7afed9d224a36408dc87ac818adfdc10
https://doi.org/10.1021/acs.jpca.0c02412
https://doi.org/10.1021/acs.jpca.0c02412
Publikováno v:
Physical Chemistry Chemical Physics. 22:17263-17274
In this contribution we investigate the structural properties of stable anions of small carbon clusters, with one nitrogen and one hydrogen atoms attached to the C-cluster, to surmise their possible existence in the Interstellar Medium (ISM). Many po
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1608ad1aeb19230d405d7821bc44caca
https://doi.org/10.1039/d0cp02666b
https://doi.org/10.1039/d0cp02666b
Publikováno v:
The Journal of chemical physics. 155(15)
By extending an earlier study [Gianturco et al., J. Chem. Phys. 154, 054311 (2021)] on the purely rotational excitation of HeH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6560e1a08ec53c1d77a62aab3a799c03
https://pubmed.ncbi.nlm.nih.gov/34686057
https://pubmed.ncbi.nlm.nih.gov/34686057
Publikováno v:
Molecular Physics. 119
The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of 12C2− (2Σg+) with H2 (1Σg+) are presented over a broad range of cold-trap temperatures. Th...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0715fb68800114af5bb957064a38783e
https://doi.org/10.1080/00268976.2021.1938267
https://doi.org/10.1080/00268976.2021.1938267
Autor:
Pablo Villarreal, Ersin Yurtsever, Tomás González-Lezana, A. D. Dörfler, Stefan Willitsch, F. A. Gianturco
Publikováno v:
Physical Chemistry Chemical Physics
Digital.CSIC. Repositorio Institucional del CSIC
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Digital.CSIC. Repositorio Institucional del CSIC
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10 pags., 8 figs., 2 tabs. -- Open Access funded by Creative Commons Atribution Licence 3.0
By employing ab initio computed intermolecular potential energy surfaces we calculate the radiative association probabilities and rates for two different
By employing ab initio computed intermolecular potential energy surfaces we calculate the radiative association probabilities and rates for two different
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e1e81ab258c93ca16bbb8c6acbefa837
https://doi.org/10.1039/c8cp06761a
https://doi.org/10.1039/c8cp06761a